SCHEMBL7312249

SCHEMBL7312249

CC(C)C[C@H](N[C@@H](CCc1ccccc1)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.47
ERAP1 Q9NZ08 4/20 0.47
LNPEP Q9UIQ6 4/20 0.47
NPY4R P50391 8/20 0.46
NPY1R P25929 5/20 0.46
NPY2R P49146 3/20 0.46
NPY5R Q15761 3/20 0.46
CPA1 P15085 2/20 0.45
CPA2 P48052 2/20 0.45
CPA4 Q9UI42 2/20 0.45
MMP3 P08254 4/20 0.44
MMP2 P08253 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7312222 1.00 ERAP2 (0.47) ERAP2ERAP1LNPEPNPY4RNPY1R
SCHEMBL7321037 0.82 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5R
SCHEMBL23405249 0.79 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5R
SCHEMBL23405252 0.79 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30034921 0.79 KISS1R (0.56) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7342912 0.79 ECE1 (0.54) ERAP2ERAP1CPA1CPA2CPA4
SCHEMBL31222396 0.79 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7312264 0.79 ACE (0.58) ERAP2ERAP1LNPEPCPA1CPA2
SCHEMBL7312238 0.79 ACE (0.58) ERAP2ERAP1LNPEPCPA1CPA2
SCHEMBL7325656 0.78 MME (0.54) NPY4RNPY1RNPY2RNPY5RCPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623625-A1 Aminophosphonic acid derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed